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Maldonado, Alejandro F., Gimenez, Carlos A., Aucar, Gustavo A. (2012) NMR espectroscopic parameters of HX and Si(Sn)X4 (X=H, F, Cl, Br and I) and SnBr4−nIn model compounds. Chemical Physics, 395. 75-81 doi:10.1016/j.chemphys.2011.08.020

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Reference TypeJournal (article/letter/editorial)
TitleNMR espectroscopic parameters of HX and Si(Sn)X4 (X=H, F, Cl, Br and I) and SnBr4−nIn model compounds
JournalChemical Physics
AuthorsMaldonado, Alejandro F.Author
Gimenez, Carlos A.Author
Aucar, Gustavo A.Author
Year2012 (February)Volume395
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2011.08.020Search in ResearchGate
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Mindat Ref. ID5962851Long-form Identifiermindat:1:5:5962851:6
GUID0
Full ReferenceMaldonado, Alejandro F., Gimenez, Carlos A., Aucar, Gustavo A. (2012) NMR espectroscopic parameters of HX and Si(Sn)X4 (X=H, F, Cl, Br and I) and SnBr4−nIn model compounds. Chemical Physics, 395. 75-81 doi:10.1016/j.chemphys.2011.08.020
Plain TextMaldonado, Alejandro F., Gimenez, Carlos A., Aucar, Gustavo A. (2012) NMR espectroscopic parameters of HX and Si(Sn)X4 (X=H, F, Cl, Br and I) and SnBr4−nIn model compounds. Chemical Physics, 395. 75-81 doi:10.1016/j.chemphys.2011.08.020
In(n.d.) Chemical Physics Vol. 395. Elsevier BV

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Melo, Juan I., Maldonado, Alejandro F., Aucar, Gustavo A. (2012) Relativistic effects on nuclear magnetic shieldings of CHnX4−n and CHXYZ (X, Y, Z = H, F, Cl, Br, I). The Journal of Chemical Physics, 137 (21). 214319pp. doi:10.1063/1.4768470
Maldonado, Alejandro F., Giménez, Carlos A., Aucar, Gustavo A. (2012) Nuclear charge-distribution effects on the NMR spectroscopy parameters. The Journal of Chemical Physics, 136 (22). 224110pp. doi:10.1063/1.4729253
Maldonado, Alejandro F., Melo, Juan I., Aucar, Gustavo A. (2015) Theoretical analysis of NMR shieldings of group-11 metal halides on MX (M = Cu, Ag, Au; X = H, F, Cl, Br, I) molecular systems, and the appearance of quasi instabilities on AuF. Physical Chemistry Chemical Physics, 17 (38). 25516-25524 doi:10.1039/c5cp04215a
Maldonado, Alejandro F., Aucar, Gustavo A. (2015) Absolute value of the nuclear magnetic shielding of silicon and germanium atoms in Si/Ge(CH3)4. Chemical Physics, 459. 125-130 doi:10.1016/j.chemphys.2015.08.018
Kozioł, Karol, Aucar, I. Agustín, Gaul, Konstantin, Berger, Robert, Aucar, Gustavo A. (2024) Relativistic and quantum electrodynamics effects on NMR shielding tensors of TlX (X = H, F, Cl, Br, I, At) molecules. The Journal of Chemical Physics, 161 (6). doi:10.1063/5.0213653
Kozioł, Karol; Aucar, I. Agustín; Gaul, Konstantin; Berger, Robert; Aucar, Gustavo A. (2026) Erratum: “Relativistic and quantum electrodynamics effects on NMR shielding tensors of Tl X ( X = H, F, Cl, Br, I, At) molecules” [J. Chem. Phys. 161, 064307 (2024)]. The Journal of Chemical Physics, 164 (4). doi:10.1063/5.0318055
Melo, Juan I., Maldonado, Alejandro F., Aucar, Gustavo A. (2020) Performance of the LRESC Model on top of DFT Functionals for Relativistic NMR Shielding Calculations. Journal of Chemical Information and Modeling, 60 (2) 722-730 doi:10.1021/acs.jcim.9b00912
Flórez, Edison, Maldonado, Alejandro F., Aucar, Gustavo A., David, Jorge, Restrepo, Albeiro (2016) Microsolvation of methylmercury: structures, energies, bonding and NMR constants (199Hg,13C and17O). Physical Chemistry Chemical Physics, 18 (3). 1537-1550 doi:10.1039/c5cp04826e
Gómez, Sergio S., Aucar, Gustavo A. (2011) Relativistic effects on the nuclear magnetic resonance shielding of FX (X = F, Cl, Br, I, and At) molecular systems. The Journal of Chemical Physics, 134 (20). 204314pp. doi:10.1063/1.3587051
Aucar, Juan J.; Maldonado, Alejandro F.; Melo, Juan I. (2025) The role of relativistic effects in anisotropy for NMR shielding tensors: A study using the LRESC model. The Journal of Chemical Physics, 162 (19). doi:10.1063/5.0264596
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